AG16789
55397-08-5 | (4-Pyridin-4-yl-phenyl)-acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AG16789
ChemicalName
(4-Pyridin-4-yl-phenyl)-acetic acid
CasNumber
55397-08-5
MolecularFormula
C13H11NO2
MolecularWeight
213.23193999999998
MdlNumber
MFCD06658509
Smiles
OC(=O)Cc1ccc(cc1)c1ccncc1
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AG16789
ChemicalName: (4-Pyridin-4-yl-phenyl)-acetic acid
CasNumber: 55397-08-5
MolecularFormula: C13H11NO2
MolecularWeight: 213.23193999999998
MdlNumber: MFCD06658509
Smiles: OC(=O)Cc1ccc(cc1)c1ccncc1
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AG16789
ChemicalName:
(4-Pyridin-4-yl-phenyl)-acetic acid
CasNumber:
55397-08-5
MolecularFormula:
C13H11NO2
MolecularWeight:
213.23193999999998
MdlNumber:
MFCD06658509
Smiles:
OC(=O)Cc1ccc(cc1)c1ccncc1
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1cc(ccc1F)[N+](=O)[O-])OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(c1cc(ccc1F)[N+](=O)[O-])OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(F)(F)F.COc1ccccc1C(=O)N1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(F)(F)F.COc1ccccc1C(=O)N1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ncnc(c1N)I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1ncnc(c1N)I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__